The effects of steric aliphatic-aliphatic interactions in the coordination polymer of bis(N,N-diethylglycinato)copper(II): Experimental evidence and theoretical modeling

Discrete polymeric chains of trans catena-poly[(N,N-diethylglycinato-κO,κN)copper(II)-μ-[N,N-diethylglycinato-κO1,κN:O2]] were produced by axial coordinative bonding between copper(II) and carbonyl oxygen atom from adjacent asymmetric unit in the crystal structure. Steric aliphatic-aliphatic interactions between flexible ethyl chains are successfully reproduced, and conformational change of the complex upon crystallization is predicted using molecular mechanics force field.